============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 5 0.900 -13.427 40.923 35.221 -99.200 -91.000 PHE 11 1.000 -22.941 36.601 26.600 -99.200 -91.000 PHE 26 1.000 -23.572 32.902 31.816 -99.200 -91.000 TRP 27 1.040 -18.474 36.310 38.173 -99.200 -91.000 TRP6 27 1.020 -17.518 37.370 40.056 -99.200 -91.000 TRP 30 1.040 -24.501 36.730 45.711 -99.200 -91.000 TRP6 30 1.020 -25.457 34.689 45.000 -99.200 -91.000 TYR 48 0.840 -6.837 24.613 28.346 -99.200 -91.000 TYR 69 0.840 -26.706 32.542 26.044 -99.200 -91.000 PHE 80 1.000 -21.549 31.392 24.492 -99.200 -91.000 PHE 101 1.000 -17.107 21.937 29.743 -99.200 -91.000 PHE 142 1.000 -16.157 15.433 -7.417 -99.200 -91.000 TYR 151 0.840 -32.311 6.970 5.455 -99.200 -91.000 PHE 168 1.000 -26.633 8.775 4.274 -99.200 -91.000 PHE 171 1.000 -16.413 9.891 -2.854 -99.200 -91.000 HIS 178 0.900 -10.872 18.113 2.026 -99.200 -91.000 TRP 188 1.040 -27.408 27.714 -5.483 -99.200 -91.000 TRP6 188 1.020 -29.617 28.087 -4.728 -99.200 -91.000 PHE 189 1.000 -25.148 19.880 -7.931 -99.200 -91.000 TYR 199 0.840 -24.364 10.031 8.341 -99.200 -91.000 PHE 204 1.000 -22.448 4.707 4.716 -99.200 -91.000